SCHEMBL31184994

SCHEMBL31184994

Cc1cc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ GSPT1 P15170 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31184763 0.94 EPHX2 (0.49) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31184812 0.92 MGLL (0.48) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31184979 0.91 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31184745 0.91 GRM1 (0.44) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31184499 0.90 MALT1 (0.46) GRM1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL31184657 0.89 ALDH1A1 (0.44) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31184902 0.88 MALT1 (0.54) SMN1; SMN2ALDH1A1TSHRHPGDMALT1
SCHEMBL31184660 0.87 SMN1; SMN2 (0.42) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31185049 0.87 ALDH1A1 (0.44) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31185026 0.86 KMT2A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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